1AI6
PENICILLIN ACYLASE WITH P-HYDROXYPHENYLACETIC ACID
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-08 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.120, 65.080, 76.300 |
| Unit cell angles | 100.20, 111.44, 105.81 |
Refinement procedure
| Resolution | 28.060 - 2.550 |
| Rwork | 0.137 |
| R-free | 0.21990 |
| Structure solution method | ISOMORPHOUS TO NATIVE |
| Starting model (for MR) | ISOMORPHOUS TO NATIVE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.041 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.060 | 2.700 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.038 * | 0.007 |
| Total number of observations | 51401 * | |
| Number of reflections | 26089 | |
| <I/σ(I)> | 12.6 | 9.5 |
| Completeness [%] | 95.6 | 88.1 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 | CRYSTALLIZED FROM 12% PEG 8000, 50MM MOPS PH 7.2. BATCH METHOD. SOAKED IN 5MM P-HYDROXYPHENYLACETIC ACID, batch method |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | penicillin acylase | 5 (mg/ml) | |
| 2 | 1 | drop | MOPS | 25 (mM) | |
| 3 | 1 | drop | PEG8000 | 5 (%) | |
| 4 | 1 | reservoir | MOPS | 50 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 9-14 (%) |
